/** \file
 *	\brief	GROMACS file format
 *
 *	http://manual.gromacs.org/current/online/gro.html
 */

#ifndef MDS_IO_GRO_INCLUDED
#define MDS_IO_GRO_INCLUDED 1

#include "../vector_set.h"

/** \brief save to GROMACS .gro format
 *
 *	\param	filename where to save.
 *	\param	comment  one line header.
 *	\param	position mandatory positions.
 *	\param	velocity optional velocities, may be NULL.
 *	\param	number of particles.
 *	\param	append append to filename if not zero.
 */

int mds_gro_save(const char          *filename, 
				 const char          *comment,
				 const mds_vector_set position,
				 const mds_vector_set velocity,
				 const size_t         num,
				 const mds_vector    *box,
				 int               append);



#endif
